dipropyl (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate

Systemtic Name: dipropyl (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate Openeye Name: dipropyl (5S,6S)-1-(p-tolylsulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate CAS Name: (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylic acid dipropyl ester IUPAC Name: dipropyl (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate Traditional Name: (5S,6S)-1-tosyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylic acid dipropyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CC2=CNC(=C2CC1C(=O)OCCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC(=O)[C@H]1CC2=CNC(=C2C[C@@H]1C(=O)OCCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29NO6S/c1-4-10-29-22(25)19-12-16-14-24-21(18(16)13-20(19)23(26)30-11-5-2)31(27,28)17-8-6-15(3)7-9-17/h6-9,14,19-20,24H,4-5,10-13H2,1-3H3/t19-,20-/m0/s1